Cas no 159903-53-4 (Samaderine Y)
Samaderine Y structure
Product Name:Samaderine Y
CAS No:159903-53-4
MF:C20H26O7
MW:378.416246891022
CID:196901
Update Time:2024-03-01
Samaderine Y Chemical and Physical Properties
Names and Identifiers
-
- Picras-3-ene-2,16-dione,13,20-epoxy-1,11,12-trihydroxy-, (1b,11b,12a)-
- (-)-SamaderineY
- Ailanquassin B
- Samaderin Y
- Samaderine Y
- (-)-samaderine Y
- Q27134691
-
- Inchi： 1S/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17-,18-,19-,20+/m0/s1
- InChI Key： RIJRPXOHKGHZPR-SEAJDPHJSA-N
- SMILES： O1C[C@@]23[C@H]4C[C@H]5C(C)=CC([C@H]([C@]5(C)[C@H]2[C@H]([C@@H]([C@]1(C)[C@@H]3CC(=O)O4)O)O)O)=O
Computed Properties
- Exact Mass: 378.168
- Monoisotopic Mass: 378.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 776
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113
- XLogP3: -0.106
Samaderine Y Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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